U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H16Cl2N5O6
Molecular Weight 433.223
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of LAMOTRIGINE N2-GLUCURONIDE

SMILES

NC1=NC(N)=C(N=[N+]1[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C3=C(Cl)C(Cl)=CC=C3

InChI

InChIKey=IEVMENHZPOWVGO-XPORZQOISA-O
InChI=1S/C15H15Cl2N5O6/c16-5-3-1-2-4(6(5)17)7-12(18)20-15(19)22(21-7)13-10(25)8(23)9(24)11(28-13)14(26)27/h1-3,8-11,13,23-25H,(H4,18,19,20,26,27)/p+1/t8-,9-,10+,11-,13+/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H15Cl2N5O6
Molecular Weight 432.216
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:34:47 GMT 2023
Edited
by admin
on Sat Dec 16 09:34:47 GMT 2023
Record UNII
XO321MNH5M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LAMOTRIGINE N2-GLUCURONIDE
Common Name English
Code System Code Type Description
FDA UNII
XO321MNH5M
Created by admin on Sat Dec 16 09:34:48 GMT 2023 , Edited by admin on Sat Dec 16 09:34:48 GMT 2023
PRIMARY
PUBCHEM
164342
Created by admin on Sat Dec 16 09:34:48 GMT 2023 , Edited by admin on Sat Dec 16 09:34:48 GMT 2023
PRIMARY
CAS
135288-68-5
Created by admin on Sat Dec 16 09:34:48 GMT 2023 , Edited by admin on Sat Dec 16 09:34:48 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
80-90% of dose
MAJOR
URINE